Details of the Drug

General Information of Drug (ID: DMIQCFG)

Drug Name
Ulinastatin
Synonyms
Urinastatin; Urinary trypsin inhibitor; Trypsin inhibitor MR-20; MR-20 (Magnetic powder); Uti(68); Acid-stable protease inhibitor; Urinary trypsin inhibitor (68); 2,4-Dioxaspiro[5.5]undec-8-ene, 3-(2-furanyl)-; 80449-31-6; Urinary trypsin inhibitor-like inhibitor (43); Trypsin inhibitor (human urine urinastatin protein moiety); 80449-32-7; 2,4-Dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-; Miraclid; AC1L2Y1N; UTI68; 3-(2-Furanyl)-2,4-dioxaspiro(5.5)undec-8-ene; AC1Q70L4; AKOS025401879; CS-7119; MR 20 (magnetic p
Indication
Disease Entry ICD 11 Status REF
Premature labour JB00 Phase 3 [1]
ATC Code
B02AB05: Ulinastatin
B02AB: Proteinase inhibitors
B02A: ANTIFIBRINOLYTICS
B02: ANTIHEMORRHAGICS
B: BLOOD AND BLOOD FORMING ORGANS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 220.26
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H16O3
IUPAC Name
3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene
Canonical SMILES
C1CC2(CC=C1)COC(OC2)C3=CC=CO3
InChI
InChI=1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
InChIKey
ODVKSTFPQDVPJZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
105102
CAS Number
80449-32-7
UNII
OR3S9IF86U
DrugBank ID
DB12038
TTD ID
D0DF1R

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cationic trypsinogen (PRSS1) TT2WR1T TRY1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Intravenous administration of ulinastatin (human urinary trypsin inhibitor) in severe sepsis: a multicenter randomized controlled study. Intensive Care Med. 2014 Jun;40(6):830-8.